Conformational study of some 4′-substituted 2-(phenylselanyl)-2-(ethylsulfonyl)-acetophenones

Most stable conformers (c1 and c2) in the gas phase and in solution for compounds 1–5. Y=NO2 (1), Br (2), H (3), Me (4), OMe (5). [Display omitted] •Conformational analysis.•Solvent effect on the conformational equilibrium through IR spectrocopy.•Theoretical calculations in the gas-phase and in solv...

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Bibliographic Details
Published in:	Journal of molecular structure Vol. 1084; pp. 190 - 199
Main Authors:	Cerqueira, Carlos R., Olivato, Paulo R., Rodrigues, Daniel N.S., Zukerman-Schpector, Julio, Tiekink, Edward R.T., Dal Colle, Maurizio
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 15-03-2015
Subjects:	4′-Substituted 2-(phenylselanyl)-2-(ethylsulfonyl)-acetophenones Bonding Carbonyls Conformational analysis Hydrogen bonds Infrared radiation Infrared spectroscopy Mathematical models Nitrogen dioxide Orbitals Solvent effect Theoretical calculations X-ray diffraction X-rays Solvent effect X-ray diffraction Infrared spectroscopy Theoretical calculations 4′-Substituted 2-(phenylselanyl)-2-(ethylsulfonyl)-acetophenones Conformational analysis
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